4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide

C12H18N6O — CID 106281034

IUPAC4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C(C)C)c1ncn[nH]1
InChIInChI=1S/C12H18N6O/c1-7(2)18-5-9(13)4-10(18)12(19)16-8(3)11-14-6-15-17-11/h4-8H,13H2,1-3H3,(H,16,19)(H,14,15,17)
InChIKeyPFLLWBBMOYOPGK-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.26
Rot. Bonds4

About 4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide

4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 106281034) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
PubChem CID106281034
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C(C)C)c1ncn[nH]1
InChIInChI=1S/C12H18N6O/c1-7(2)18-5-9(13)4-10(18)12(19)16-8(3)11-14-6-15-17-11/h4-8H,13H2,1-3H3,(H,16,19)(H,14,15,17)
InChIKeyPFLLWBBMOYOPGK-UHFFFAOYSA-N
XLogP1.26
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Netropsin
CID 4461
Monoimidazole Lexitropsin
CID 150552
Anthelvencin B
CID 14039041
1-Methyl-4-[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]pyrrole-2-carboxamide
CID 70691585
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-3-carboxamide
CID 156021149
4-amino-N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
CID 150477
N-(3-amino-3-imino-propyl)-4-[[4-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-2-carboxamide
CID 175884
4-Amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride
CID 150476
1H-Imidazole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(3-amino-3-iminopropyl)-1-methyl-, sulfate (1:1)
CID 175883
5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 16668094
N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide;hydrochloride
CID 45259426
N-(2-imidazol-1-ylethyl)-1-phenylpyrazole-3-carboxamide
CID 53501427

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide (CID 106281034) is 4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide is CC(NC(=O)c1cc(N)cn1C(C)C)c1ncn[nH]1.
What is the InChIKey of 4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is PFLLWBBMOYOPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-7(2)18-5-9(13)4-10(18)12(19)16-8(3)11-14-6-15-17-11/h4-8H,13H2,1-3H3,(H,16,19)(H,14,15,17).
What are the key properties of 4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide?
4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 106281034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).