5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine

C15H23N7 — CID 129334899

IUPAC5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
SMILESCn1nncc1CN1CCC[C@H](Nc2ccc(N)nc2)CC1
InChIInChI=1S/C15H23N7/c1-21-14(10-18-20-21)11-22-7-2-3-12(6-8-22)19-13-4-5-15(16)17-9-13/h4-5,9-10,12,19H,2-3,6-8,11H2,1H3,(H2,16,17)/t12-/m0/s1
InChIKeyHTFVXAFPLUUWGC-LBPRGKRZSA-N
MW301.40 g/mol
LogP1.26
Rot. Bonds4

About 5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine

5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine (PubChem CID 129334899) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
PubChem CID129334899
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
SMILESCn1nncc1CN1CCC[C@H](Nc2ccc(N)nc2)CC1
InChIInChI=1S/C15H23N7/c1-21-14(10-18-20-21)11-22-7-2-3-12(6-8-22)19-13-4-5-15(16)17-9-13/h4-5,9-10,12,19H,2-3,6-8,11H2,1H3,(H2,16,17)/t12-/m0/s1
InChIKeyHTFVXAFPLUUWGC-LBPRGKRZSA-N
XLogP1.26
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 128992386
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride
CID 128995369
5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
CID 129331643
5-N-[1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine;hydrochloride
CID 129001228
5-N-[(4R)-1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
CID 129343808
N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887317
6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887741
[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone
CID 129341877
4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine
CID 138038763
1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 129339675
2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 129343785

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine (CID 129334899) is 5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine is Cn1nncc1CN1CCC[C@H](Nc2ccc(N)nc2)CC1.
What is the InChIKey of 5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine?
The InChIKey is HTFVXAFPLUUWGC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N7/c1-21-14(10-18-20-21)11-22-7-2-3-12(6-8-22)19-13-4-5-15(16)17-9-13/h4-5,9-10,12,19H,2-3,6-8,11H2,1H3,(H2,16,17)/t12-/m0/s1.
What are the key properties of 5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine?
5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine has a molecular weight of 301.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine is sourced from PubChem (CID 129334899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).