3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine

C8H15N5 — CID 155978110

IUPAC3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine
SMILESCC1(N)CCN(Cc2cn[nH]n2)C1
InChIInChI=1S/C8H15N5/c1-8(9)2-3-13(6-8)5-7-4-10-12-11-7/h4H,2-3,5-6,9H2,1H3,(H,10,11,12)
InChIKeyBRTMNQUOUZUYNZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.27
Rot. Bonds2

About 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine

3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 155978110) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine
PubChem CID155978110
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine
SMILESCC1(N)CCN(Cc2cn[nH]n2)C1
InChIInChI=1S/C8H15N5/c1-8(9)2-3-13(6-8)5-7-4-10-12-11-7/h4H,2-3,5-6,9H2,1H3,(H,10,11,12)
InChIKeyBRTMNQUOUZUYNZ-UHFFFAOYSA-N
XLogP-0.27
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-((1H-1,2,3-triazol-5-yl)methyl)pyrrolidin-3-amine dihydrochloride
CID 155978109
N,N-dimethyl-1-(2H-triazol-4-yl)methanamine
CID 54206485
N,N-bis(2H-triazol-4-ylmethyl)prop-2-yn-1-amine
CID 102352063
4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-2H-triazole
CID 154760409
rel-(3R,4S)-4-isopropyl-1-(1H-1,2,3-triazol-4-ylmethyl)-3-pyrrolidinamine dihydrochloride
CID 72876629
N-butyl-N-(2H-triazol-4-ylmethyl)butan-1-amine
CID 53639549
1-methyl-4-(2H-triazol-4-ylmethyl)piperazine
CID 53849106
N-(2H-triazol-4-ylmethyl)ethanamine
CID 54298360
N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine
CID 59155059
2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
CID 61317527
2-methyl-N-(2H-triazol-4-ylmethyl)propan-1-amine
CID 61317528
N-(2H-triazol-4-ylmethyl)propan-2-amine
CID 61320362

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine (CID 155978110) is 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine is CC1(N)CCN(Cc2cn[nH]n2)C1.
What is the InChIKey of 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is BRTMNQUOUZUYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-8(9)2-3-13(6-8)5-7-4-10-12-11-7/h4H,2-3,5-6,9H2,1H3,(H,10,11,12).
What are the key properties of 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine?
3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 181.24 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 155978110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).